#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dsg n GLY 9 N 0.00 -1.29 3.72 1.08 0.00 -1.26 -4.84 105.19 102.59 3dsg n GLY 9 Ca 0.00 -1.23 -0.38 0.00 0.00 0.00 0.00 46.02 44.40 3dsg n GLY 9 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dsg s ILE 10 N 0.00 5.15 -0.33 -0.61 1.01 -1.26 -4.66 121.20 120.50 3dsg s ILE 10 Ca 0.00 1.08 -0.13 0.00 0.00 0.00 0.00 60.65 61.59 3dsg s ILE 10 Cb 0.00 -3.87 -0.02 0.00 0.01 0.00 0.00 42.46 38.58 3dsg s ILE 10 CO 0.00 0.30 0.27 -0.22 0.00 0.00 0.00 174.94 175.28 3dsg s LEU 11 N 0.75 4.44 0.21 2.97 2.96 -0.87 -4.97 118.68 124.17 3dsg s LEU 11 Ca 0.29 -0.32 0.08 0.00 -0.22 0.00 0.00 54.13 53.96 3dsg s LEU 11 Cb -0.16 -2.19 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 3dsg s LEU 11 CO 0.12 -0.24 -0.01 -0.94 -1.32 0.00 0.00 176.35 173.96 3dsg s SER 12 N 1.73 4.60 -0.21 3.68 1.04 -1.26 -1.20 113.70 122.07 3dsg s SER 12 Ca 0.08 -0.52 -0.04 0.00 0.48 0.00 0.00 55.95 55.94 3dsg s SER 12 Cb -0.17 -0.90 0.11 0.00 0.10 0.00 0.00 66.02 65.16 3dsg s SER 12 CO 0.11 0.05 0.35 -0.22 0.98 0.00 0.00 173.24 174.51 3dsg s LEU 13 N -3.24 -0.52 -0.25 2.42 2.96 -0.61 -4.94 118.68 114.50 3dsg s LEU 13 Ca 0.29 0.36 -0.07 0.00 -0.22 0.00 0.00 54.13 54.49 3dsg s LEU 13 Cb -0.08 1.01 -0.02 0.00 0.50 0.00 0.00 46.19 47.60 3dsg s LEU 13 CO 0.19 -0.28 0.06 0.00 -1.32 0.00 0.00 176.35 174.99 3dsg s ALA 14 N 2.51 3.11 -0.39 5.97 0.00 -1.26 0.06 121.76 131.76 3dsg s ALA 14 Ca 0.08 -1.18 -0.11 0.00 0.00 0.00 0.00 51.96 50.74 3dsg s ALA 14 Cb -0.14 -2.05 0.04 0.00 0.00 0.00 0.00 23.12 20.97 3dsg s ALA 14 CO -0.14 -0.55 0.24 -0.51 0.00 0.00 0.00 175.76 174.81 3dsg s LEU 15 N 1.58 4.92 0.25 0.00 1.43 0.96 -4.95 118.68 122.87 3dsg s LEU 15 Ca 0.06 -1.11 -0.03 0.00 -1.03 0.00 0.00 54.13 52.02 3dsg s LEU 15 Cb -0.15 -2.05 0.44 0.00 0.03 0.00 0.00 46.19 44.46 3dsg s LEU 15 CO 0.03 -0.44 1.81 0.50 0.23 0.00 0.00 176.35 178.47 3dsg h LYS 16 N 8.48 0.79 -4.02 1.70 3.64 -1.91 -3.07 116.57 122.18 3dsg h LYS 16 Ca -0.25 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 58.91 3dsg h LYS 16 Cb 1.10 -0.18 -0.10 0.00 -0.41 0.00 0.00 32.23 32.64 3dsg h LYS 16 CO 0.71 0.52 -0.26 0.16 -2.27 0.00 0.00 179.45 178.31 3dsg s ASP 17 N -5.60 0.30 0.50 4.20 3.84 -1.26 -4.36 116.67 114.28 3dsg s ASP 17 Ca -0.12 -1.22 0.20 0.00 -0.00 0.00 0.00 52.55 51.41 3dsg s ASP 17 Cb 0.20 0.56 1.27 0.00 -1.38 0.00 0.00 42.92 43.57 3dsg s ASP 17 CO 0.79 -1.12 2.07 0.11 -0.00 0.00 0.00 175.17 177.01 3dsg h LYS 18 N 2.29 0.00 -0.40 2.11 1.57 -1.95 0.36 116.57 120.55 3dsg h LYS 18 Ca -0.29 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.54 3dsg h LYS 18 Cb 1.25 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.51 3dsg h LYS 18 CO 0.40 0.12 0.12 0.00 -0.57 0.00 0.00 179.45 179.52 3dsg h ALA 19 N 1.88 0.46 -0.14 3.86 0.00 -1.99 1.00 119.26 124.34 3dsg h ALA 19 Ca -0.00 0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 3dsg h ALA 19 Cb 0.23 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.08 3dsg h ALA 19 CO 0.02 -0.27 -0.78 0.00 0.00 0.00 0.00 179.25 178.22 3dsg h ALA 20 N 1.27 0.37 0.27 0.00 0.00 -0.70 -2.03 119.26 118.44 3dsg h ALA 20 Ca 0.18 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 3dsg h ALA 20 Cb 0.18 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3dsg h ALA 20 CO -0.20 0.70 -0.23 1.25 0.00 0.00 0.00 179.25 180.76 3dsg h LEU 21 N 0.49 -0.62 -0.73 0.00 5.85 -1.38 -1.73 115.31 117.18 3dsg h LEU 21 Ca -0.05 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.80 3dsg h LEU 21 Cb 1.40 0.21 -0.06 0.00 0.37 0.00 0.00 40.66 42.57 3dsg h LEU 21 CO 0.15 -0.35 0.41 0.22 -0.34 0.00 0.00 178.44 178.53 3dsg h TYR 22 N -0.52 0.74 -0.62 1.25 5.03 -0.57 -0.41 116.97 121.87 3dsg h TYR 22 Ca -0.01 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.30 3dsg h TYR 22 Cb 0.47 -0.23 -0.03 0.00 1.55 0.00 0.00 36.73 38.50 3dsg h TYR 22 CO -0.14 0.33 0.29 1.03 -1.32 0.00 0.00 178.16 178.34 3dsg h SER 23 N 0.72 0.82 0.76 -2.11 0.87 -1.23 -3.28 113.55 110.10 3dsg h SER 23 Ca 0.34 -0.14 -0.25 0.00 -1.23 0.00 0.00 61.79 60.51 3dsg h SER 23 Cb 0.26 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 3dsg h SER 23 CO -0.21 0.73 -1.20 0.00 -0.53 0.00 0.00 176.83 175.62 3dsg h ALA 24 N 1.12 0.26 -3.00 6.23 0.00 -0.18 -3.48 119.26 120.21 3dsg h ALA 24 Ca 0.21 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 54.17 3dsg h ALA 24 Cb 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3dsg h ALA 24 CO -0.02 1.14 0.00 0.98 0.00 0.00 0.00 179.25 181.35 3dsg n TYR 25 N -3.42 -0.49 0.00 0.00 4.19 -0.53 -0.84 117.16 116.08 3dsg n TYR 25 Ca -0.06 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.15 3dsg n TYR 25 Cb 0.99 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.82 3dsg n TYR 25 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 3dsg n PRO 27 N 0.00 0.13 0.06 2.98 -0.04 -1.26 -4.90 135.00 131.97 3dsg n PRO 27 Ca 0.00 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 3dsg n PRO 27 Cb 0.00 -0.11 0.45 0.00 -0.04 0.00 0.00 33.50 33.80 3dsg n PRO 27 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 3dsg n PHE 28 N -0.45 0.45 -2.52 0.54 -1.74 -1.26 -4.76 117.46 107.71 3dsg n PHE 28 Ca 0.00 0.16 -0.41 0.00 -0.56 0.00 0.00 57.45 56.64 3dsg n PHE 28 Cb 0.00 -0.75 -0.04 0.00 1.52 0.00 0.00 39.48 40.20 3dsg n PHE 28 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 3dsg s VAL 29 N -3.12 3.77 0.47 1.97 1.01 -1.26 -5.03 120.40 118.21 3dsg s VAL 29 Ca 0.08 1.62 -0.25 0.00 0.00 0.00 0.00 61.98 63.43 3dsg s VAL 29 Cb 0.12 -4.03 -0.08 0.00 0.00 0.00 0.00 36.38 32.39 3dsg s VAL 29 CO 0.42 0.32 1.43 -0.54 0.00 0.00 0.00 175.10 176.73 3dsg s LYS 30 N -0.75 3.59 0.00 2.72 1.02 -1.26 -1.64 119.74 123.42 3dsg s LYS 30 Ca 0.47 2.41 0.00 0.00 0.02 0.00 0.00 55.97 58.87 3dsg s LYS 30 Cb -0.30 -2.60 0.00 0.00 -0.52 0.00 0.00 37.83 34.42 3dsg s LYS 30 CO 0.36 -0.89 0.00 0.43 -0.92 0.00 0.00 175.35 174.34 3dsg n SER 31 N -0.33 -3.94 -0.85 2.83 7.64 -1.26 -4.64 113.62 113.07 3dsg n SER 31 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 3dsg n SER 31 Cb 0.42 -2.98 0.00 0.00 -1.01 0.00 0.00 64.21 60.64 3dsg n SER 31 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dsg n GLY 32 N -0.15 -3.91 0.00 0.23 0.00 -0.65 -4.46 105.19 96.24 3dsg n GLY 32 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3dsg n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dsg n GLY 33 N -0.77 6.60 0.00 -0.02 0.00 -1.26 -0.36 105.19 109.39 3dsg n GLY 33 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.20 3dsg n GLY 33 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3dsg n ILE 34 N 0.00 0.00 -3.04 -0.61 3.06 -0.37 -4.73 119.36 113.67 3dsg n ILE 34 Ca 0.00 0.00 -0.40 0.00 -2.50 0.00 0.00 62.75 59.85 3dsg n ILE 34 Cb 0.00 0.00 -0.05 0.00 0.54 0.00 0.00 39.64 40.13 3dsg n ILE 34 CO 0.00 0.00 0.00 0.12 -2.50 0.00 0.00 176.55 174.17 3dsg s PHE 35 N -0.70 3.50 -0.23 9.51 2.19 -0.02 -1.04 117.98 131.19 3dsg s PHE 35 Ca 0.00 1.16 0.02 0.00 0.33 0.00 0.00 56.93 58.45 3dsg s PHE 35 Cb 0.00 -2.83 0.04 0.00 -1.31 0.00 0.00 43.02 38.92 3dsg s PHE 35 CO 0.00 -0.03 -0.14 0.08 1.83 0.00 0.00 175.22 176.97 3dsg s VAL 36 N 1.28 2.07 0.28 3.12 1.01 0.49 -4.85 120.40 123.81 3dsg s VAL 36 Ca 0.35 -1.34 -0.29 0.00 0.00 0.00 0.00 61.98 60.70 3dsg s VAL 36 Cb -0.17 -2.08 -0.10 0.00 0.00 0.00 0.00 36.38 34.03 3dsg s VAL 36 CO 0.15 0.18 1.34 -2.84 0.00 0.00 0.00 175.10 173.93 3dsg s PRO 37 N 1.20 4.34 -0.29 2.72 0.02 -1.26 -1.69 135.00 140.03 3dsg s PRO 37 Ca -0.04 2.21 -0.19 0.00 0.02 0.00 0.00 61.00 63.00 3dsg s PRO 37 Cb -0.17 -3.11 0.17 0.00 0.02 0.00 0.00 34.50 31.41 3dsg s PRO 37 CO -0.08 -0.26 1.17 -0.08 -0.33 0.00 0.00 177.00 177.42 3dsg s THR 38 N -0.56 0.00 -2.06 0.99 -1.32 -1.21 -4.92 115.64 106.56 3dsg s THR 38 Ca 0.53 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 61.18 3dsg s THR 38 Cb -0.40 -1.00 0.44 0.00 -1.51 0.00 0.00 72.50 70.03 3dsg s THR 38 CO 0.47 0.00 1.38 -0.81 -2.21 0.00 0.00 174.62 173.46 3dsg n PRO 39 N 2.87 2.12 -1.12 7.08 -0.04 -1.26 -2.30 135.00 142.34 3dsg n PRO 39 Ca -0.16 -1.73 -0.29 0.00 -0.04 0.00 0.00 63.50 61.29 3dsg n PRO 39 Cb 0.57 -1.39 0.20 0.00 -0.04 0.00 0.00 33.50 32.83 3dsg n PRO 39 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3dsg s LYS 40 N -1.40 -0.04 -0.17 0.54 1.02 -1.26 -5.00 119.74 113.43 3dsg s LYS 40 Ca 0.33 0.39 0.01 0.00 0.02 0.00 0.00 55.97 56.72 3dsg s LYS 40 Cb 0.18 -1.69 0.01 0.00 -0.52 0.00 0.00 37.83 35.80 3dsg s LYS 40 CO 0.23 -3.02 -0.18 1.03 -0.92 0.00 0.00 175.35 172.50 3dsg s ARG 41 N -5.03 3.08 0.00 1.68 0.52 -1.26 -4.89 118.95 113.05 3dsg s ARG 41 Ca 0.67 -0.80 0.00 0.00 -0.52 0.00 0.00 55.73 55.08 3dsg s ARG 41 Cb -0.17 -2.60 0.00 0.00 0.52 0.00 0.00 34.95 32.70 3dsg s ARG 41 CO 0.58 -0.13 0.00 0.66 0.02 0.00 0.00 175.30 176.43 3dsg n TYR 42 N 4.43 0.00 -3.93 -0.53 4.02 -1.26 -5.20 117.16 114.68 3dsg n TYR 42 Ca -0.20 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.34 3dsg n TYR 42 Cb 0.51 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.74 3dsg n TYR 42 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3dsg s LEU 44 N 0.00 4.01 0.00 7.72 1.02 -1.26 -5.01 118.68 125.16 3dsg s LEU 44 Ca 0.00 0.20 0.00 0.00 0.02 0.00 0.00 54.13 54.35 3dsg s LEU 44 Cb 0.00 -2.01 0.00 0.00 0.02 0.00 0.00 46.19 44.20 3dsg s LEU 44 CO 0.00 0.23 0.00 0.61 0.02 0.00 0.00 176.35 177.21 3dsg n GLY 45 N 3.15 2.28 3.51 -3.19 0.00 -0.40 -5.01 105.19 105.54 3dsg n GLY 45 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 3dsg n GLY 45 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dsg n ASP 46 N 0.00 -0.62 -4.71 1.61 8.00 -1.26 -4.58 116.55 115.00 3dsg n ASP 46 Ca 0.00 0.67 -0.41 0.00 0.71 0.00 0.00 54.79 55.76 3dsg n ASP 46 Cb 0.00 -1.26 -0.04 0.00 -0.02 0.00 0.00 41.12 39.80 3dsg n ASP 46 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3dsg s GLU 47 N -2.69 4.47 -0.07 -1.24 8.01 -1.26 -0.13 118.70 125.79 3dsg s GLU 47 Ca 0.69 1.10 0.04 0.00 0.01 0.00 0.00 54.97 56.80 3dsg s GLU 47 Cb -0.38 -3.46 0.00 0.00 -4.31 0.00 0.00 34.13 25.98 3dsg s GLU 47 CO 0.54 -0.01 -0.18 0.08 0.01 0.00 0.00 175.26 175.69 3dsg s VAL 48 N 1.00 1.59 -0.31 2.63 1.01 0.24 -4.89 120.40 121.67 3dsg s VAL 48 Ca 0.43 -0.76 -0.19 0.00 0.00 0.00 0.00 61.98 61.46 3dsg s VAL 48 Cb -0.19 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.79 3dsg s VAL 48 CO 0.21 0.45 0.55 0.12 0.00 0.00 0.00 175.10 176.44 3dsg s PHE 49 N 0.34 3.21 -0.10 5.22 5.36 -1.26 -0.45 117.98 130.29 3dsg s PHE 49 Ca -0.13 0.45 0.03 0.00 -0.96 0.00 0.00 56.93 56.32 3dsg s PHE 49 Cb -0.15 -2.89 0.01 0.00 -0.34 0.00 0.00 43.02 39.64 3dsg s PHE 49 CO 0.05 -0.44 -0.20 -1.17 -1.46 0.00 0.00 175.22 172.00 3dsg s LEU 50 N 2.45 1.94 -0.34 6.12 2.96 0.64 -2.06 118.68 130.39 3dsg s LEU 50 Ca 0.22 -0.49 -0.16 0.00 -0.22 0.00 0.00 54.13 53.47 3dsg s LEU 50 Cb -0.15 -1.25 -0.01 0.00 0.50 0.00 0.00 46.19 45.28 3dsg s LEU 50 CO 0.12 0.10 0.41 -0.22 -1.32 0.00 0.00 176.35 175.44 3dsg s LEU 51 N 0.59 4.39 -0.19 -0.68 2.96 -0.34 -0.24 118.68 125.16 3dsg s LEU 51 Ca -0.14 -0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 53.62 3dsg s LEU 51 Cb -0.17 -2.42 0.01 0.00 0.50 0.00 0.00 46.19 44.11 3dsg s LEU 51 CO 0.04 -0.37 -0.13 -0.22 -1.32 0.00 0.00 176.35 174.35 3dsg s LEU 52 N 2.14 2.49 -0.36 -0.68 2.96 0.47 -1.58 118.68 124.11 3dsg s LEU 52 Ca 0.14 -0.52 -0.13 0.00 -0.22 0.00 0.00 54.13 53.40 3dsg s LEU 52 Cb -0.16 -1.60 -0.00 0.00 0.50 0.00 0.00 46.19 44.93 3dsg s LEU 52 CO 0.12 0.00 0.25 -0.89 -1.32 0.00 0.00 176.35 174.51 3dsg s THR 53 N 1.30 5.18 0.37 3.68 2.01 0.11 -0.97 115.64 127.32 3dsg s THR 53 Ca 0.04 -0.41 -0.26 0.00 0.31 0.00 0.00 61.69 61.37 3dsg s THR 53 Cb -0.14 -3.74 -0.09 0.00 0.01 0.00 0.00 72.50 68.54 3dsg s THR 53 CO -0.07 -0.11 1.15 -0.76 -0.69 0.00 0.00 174.62 174.14 3dsg s LEU 54 N 1.69 4.28 0.32 4.42 1.43 -1.26 -0.03 118.68 129.53 3dsg s LEU 54 Ca 0.05 2.33 -0.28 0.00 -1.03 0.00 0.00 54.13 55.20 3dsg s LEU 54 Cb -0.18 -3.93 -0.13 0.00 0.03 0.00 0.00 46.19 41.98 3dsg s LEU 54 CO 0.10 -0.53 1.22 -2.65 0.23 0.00 0.00 176.35 174.71 3dsg n PRO 55 N 0.35 1.91 -3.82 1.29 -0.02 -1.16 -1.86 135.00 131.69 3dsg n PRO 55 Ca 0.03 0.67 -0.29 0.00 -2.02 0.00 0.00 63.50 61.89 3dsg n PRO 55 Cb 0.46 -2.20 -0.07 0.00 -0.02 0.00 0.00 33.50 31.67 3dsg n PRO 55 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3dsg n ASP 56 N 0.97 -0.52 -4.92 2.55 5.75 -1.26 -4.93 116.55 114.19 3dsg n ASP 56 Ca 0.06 -0.95 -0.29 0.00 -0.01 0.00 0.00 54.79 53.61 3dsg n ASP 56 Cb 0.35 -1.20 -0.04 0.00 -1.03 0.00 0.00 41.12 39.20 3dsg n ASP 56 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3dsg s SER 57 N -3.24 6.41 -0.04 -1.12 0.15 -0.78 -5.02 113.70 110.06 3dsg s SER 57 Ca 0.37 0.42 0.17 0.00 0.70 0.00 0.00 55.95 57.62 3dsg s SER 57 Cb -0.22 -2.02 0.54 0.00 -1.71 0.00 0.00 66.02 62.62 3dsg s SER 57 CO 0.77 0.02 1.46 -1.54 1.20 0.00 0.00 173.24 175.14 3dsg n SER 58 N -0.32 3.81 -4.21 5.45 3.41 -1.26 -4.88 113.62 115.61 3dsg n SER 58 Ca -0.04 -2.17 -0.18 0.00 -0.26 0.00 0.00 58.87 56.21 3dsg n SER 58 Cb 0.53 -0.43 -0.11 0.00 -0.26 0.00 0.00 64.21 63.93 3dsg n SER 58 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3dsg s GLU 59 N -1.32 0.94 -0.25 4.33 -1.05 -1.26 -5.10 118.70 114.99 3dsg s GLU 59 Ca 0.41 -1.12 -0.04 0.00 -0.15 0.00 0.00 54.97 54.07 3dsg s GLU 59 Cb 0.23 -0.88 0.01 0.00 -0.44 0.00 0.00 34.13 33.05 3dsg s GLU 59 CO 0.24 0.18 -0.02 1.03 0.95 0.00 0.00 175.26 177.64 3dsg s ARG 60 N -2.27 3.09 -0.48 -4.83 0.52 -1.26 -4.51 118.95 109.21 3dsg s ARG 60 Ca 0.04 -0.82 -0.18 0.00 -0.52 0.00 0.00 55.73 54.26 3dsg s ARG 60 Cb -0.07 -3.09 0.06 0.00 0.52 0.00 0.00 34.95 32.37 3dsg s ARG 60 CO 0.03 -0.34 0.51 -0.51 0.02 0.00 0.00 175.30 175.01 3dsg s LEU 61 N 1.42 5.17 0.18 2.53 1.43 -0.15 -4.87 118.68 124.40 3dsg s LEU 61 Ca 0.03 -1.01 -0.29 0.00 -1.03 0.00 0.00 54.13 51.83 3dsg s LEU 61 Cb -0.16 -2.35 -0.08 0.00 0.03 0.00 0.00 46.19 43.64 3dsg s LEU 61 CO -0.02 -0.75 0.92 -2.16 0.23 0.00 0.00 176.35 174.56 3dsg s PRO 62 N 2.21 4.76 -0.15 1.29 0.04 -1.26 -0.40 135.00 141.49 3dsg s PRO 62 Ca 0.11 1.42 -0.01 0.00 0.04 0.00 0.00 61.00 62.56 3dsg s PRO 62 Cb -0.21 -3.31 0.04 0.00 0.04 0.00 0.00 34.50 31.06 3dsg s PRO 62 CO 0.10 0.42 -0.04 0.14 0.04 0.00 0.00 177.00 177.66 3dsg s VAL 63 N -0.75 0.97 -1.20 -0.36 -7.23 0.66 -4.97 120.40 107.53 3dsg s VAL 63 Ca 0.42 -0.47 -0.20 0.00 -1.81 0.00 0.00 61.98 59.92 3dsg s VAL 63 Cb -0.25 -1.14 0.06 0.00 0.56 0.00 0.00 36.38 35.62 3dsg s VAL 63 CO 0.30 0.17 1.63 0.00 -0.31 0.00 0.00 175.10 176.89 3dsg s ALA 64 N 1.70 3.11 0.59 1.32 0.00 -1.26 -0.26 121.76 126.96 3dsg s ALA 64 Ca 0.02 -2.69 0.10 0.00 0.00 0.00 0.00 51.96 49.38 3dsg s ALA 64 Cb -0.14 -4.60 0.09 0.00 0.00 0.00 0.00 23.12 18.47 3dsg s ALA 64 CO -0.08 -3.40 0.79 0.20 0.00 0.00 0.00 175.76 173.27 3dsg s GLY 65 N 4.47 1.75 -0.03 0.00 0.00 0.40 -3.99 107.32 109.92 3dsg s GLY 65 Ca 0.51 -2.13 0.05 0.00 0.00 0.00 0.00 44.72 43.15 3dsg s GLY 65 CO 0.02 -1.72 -0.19 1.25 0.00 0.00 0.00 173.10 172.45 3dsg s LYS 66 N -4.67 1.79 -0.28 2.90 2.20 -0.76 -0.59 119.74 120.33 3dsg s LYS 66 Ca 0.61 -0.67 -0.29 0.00 -0.36 0.00 0.00 55.97 55.25 3dsg s LYS 66 Cb -0.05 -1.60 -0.00 0.00 -1.51 0.00 0.00 37.83 34.66 3dsg s LYS 66 CO 0.38 0.32 1.30 0.08 -0.36 0.00 0.00 175.35 177.08 3dsg s VAL 67 N -0.17 4.15 -0.59 4.02 1.01 0.82 -1.22 120.40 128.42 3dsg s VAL 67 Ca 0.00 1.32 0.06 0.00 0.00 0.00 0.00 61.98 63.36 3dsg s VAL 67 Cb -0.10 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 32.17 3dsg s VAL 67 CO 0.01 -0.41 0.54 1.33 0.00 0.00 0.00 175.10 176.57 3dsg n VAL 68 N 6.08 0.00 -3.64 2.92 0.24 -0.29 -1.28 118.33 122.36 3dsg n VAL 68 Ca 0.15 -0.46 -0.03 0.00 -2.04 0.00 0.00 64.34 61.96 3dsg n VAL 68 Cb 0.46 1.08 -0.07 0.00 -1.47 0.00 0.00 33.84 33.85 3dsg n VAL 68 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 3dsg s TRP 69 N -0.84 -0.37 0.13 6.34 -0.11 -1.24 -4.98 118.94 117.88 3dsg s TRP 69 Ca 0.05 0.78 0.10 0.00 1.22 0.00 0.00 56.10 58.26 3dsg s TRP 69 Cb 0.05 0.31 -0.04 0.00 -1.50 0.00 0.00 33.47 32.28 3dsg s TRP 69 CO 0.12 -0.18 -0.22 0.95 -4.62 0.00 0.00 176.95 173.01 3dsg s THR 70 N 0.83 2.59 -0.28 5.86 -4.23 -1.26 -0.93 115.64 118.22 3dsg s THR 70 Ca -0.04 -1.67 -0.02 0.00 -1.18 0.00 0.00 61.69 58.78 3dsg s THR 70 Cb -0.04 -2.19 0.11 0.00 1.34 0.00 0.00 72.50 71.73 3dsg s THR 70 CO -0.12 0.06 0.21 -0.89 -0.54 0.00 0.00 174.62 173.34 3dsg s THR 71 N -1.21 -0.24 -1.65 3.99 2.01 -0.08 -4.97 115.64 113.49 3dsg s THR 71 Ca 0.17 -0.55 0.00 0.00 0.31 0.00 0.00 61.69 61.62 3dsg s THR 71 Cb -0.10 -0.93 0.00 0.00 0.01 0.00 0.00 72.50 71.48 3dsg s THR 71 CO 0.09 -0.54 0.23 -0.81 -0.69 0.00 0.00 174.62 172.90 3dsg n PRO 72 N 5.28 0.00 0.00 4.92 -0.04 -1.26 -0.73 135.00 143.18 3dsg n PRO 72 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 3dsg n PRO 72 Cb 0.45 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 3dsg n PRO 72 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dsg n ALA 73 N -0.69 0.00 0.00 0.55 0.00 -1.26 -4.80 120.51 114.30 3dsg n ALA 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3dsg n ALA 73 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3dsg n ALA 73 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3dsg n ARG 79 N 0.00 0.00 -2.20 0.00 0.63 -1.26 -4.33 116.66 109.50 3dsg n ARG 79 Ca 0.00 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.64 3dsg n ARG 79 Cb 0.00 0.00 0.02 0.00 0.45 0.00 0.00 32.46 32.93 3dsg n ARG 79 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3dsg s ALA 80 N 0.00 3.19 0.71 5.13 0.00 -1.26 -5.08 121.76 124.46 3dsg s ALA 80 Ca 0.00 -0.38 -0.15 0.00 0.00 0.00 0.00 51.96 51.43 3dsg s ALA 80 Cb 0.00 -2.83 0.03 0.00 0.00 0.00 0.00 23.12 20.32 3dsg s ALA 80 CO 0.00 -0.70 1.21 0.00 0.00 0.00 0.00 175.76 176.27 3dsg s ALA 81 N -3.05 2.18 0.00 0.00 0.00 -1.26 -4.93 121.76 114.70 3dsg s ALA 81 Ca 0.53 0.89 0.00 0.00 0.00 0.00 0.00 51.96 53.38 3dsg s ALA 81 Cb -0.11 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.55 3dsg s ALA 81 CO 0.49 -1.78 0.00 0.41 0.00 0.00 0.00 175.76 174.88 3dsg n GLY 82 N 0.37 0.86 3.01 0.00 0.00 0.10 -3.29 105.19 106.24 3dsg n GLY 82 Ca 0.13 -1.84 -0.12 0.00 0.00 0.00 0.00 46.02 44.19 3dsg n GLY 82 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dsg s ILE 83 N -2.57 0.37 -0.32 -0.61 -4.36 -0.68 -0.90 121.20 112.12 3dsg s ILE 83 Ca 0.00 -0.86 -0.21 0.00 -0.26 0.00 0.00 60.65 59.32 3dsg s ILE 83 Cb 0.00 -0.44 -0.00 0.00 1.25 0.00 0.00 42.46 43.26 3dsg s ILE 83 CO 0.00 -0.33 0.68 -0.83 0.24 0.00 0.00 174.94 174.70 3dsg s GLY 84 N -1.27 1.75 -0.28 6.27 0.00 -0.11 -0.38 107.32 113.30 3dsg s GLY 84 Ca -0.10 -0.63 -0.05 0.00 0.00 0.00 0.00 44.72 43.94 3dsg s GLY 84 CO -0.00 1.55 0.03 0.14 0.00 0.00 0.00 173.10 174.83 3dsg s VAL 85 N 2.74 3.56 0.14 1.40 1.01 -0.21 -1.14 120.40 127.90 3dsg s VAL 85 Ca 0.27 -0.88 -0.28 0.00 0.00 0.00 0.00 61.98 61.09 3dsg s VAL 85 Cb -0.15 -2.85 -0.07 0.00 0.00 0.00 0.00 36.38 33.31 3dsg s VAL 85 CO 0.13 0.08 0.89 -1.58 0.00 0.00 0.00 175.10 174.62 3dsg s GLN 86 N 1.42 4.68 0.46 2.72 0.74 -0.36 -1.23 119.66 128.09 3dsg s GLN 86 Ca 0.01 1.34 -0.23 0.00 0.05 0.00 0.00 55.36 56.53 3dsg s GLN 86 Cb -0.17 -3.33 -0.07 0.00 1.10 0.00 0.00 33.01 30.53 3dsg s GLN 86 CO 0.00 0.36 1.15 -0.06 -0.55 0.00 0.00 175.29 176.20 3dsg s PHE 87 N -0.50 2.90 0.76 1.67 0.08 0.52 -1.82 117.98 121.58 3dsg s PHE 87 Ca 0.42 1.55 -0.11 0.00 0.12 0.00 0.00 56.93 58.91 3dsg s PHE 87 Cb -0.23 -3.35 0.04 0.00 -0.57 0.00 0.00 43.02 38.91 3dsg s PHE 87 CO 0.29 -1.42 1.08 -1.25 -0.10 0.00 0.00 175.22 173.82 3dsg s PRO 88 N -2.72 2.43 0.16 0.24 0.04 -1.26 -4.79 135.00 129.10 3dsg s PRO 88 Ca 0.64 0.96 -0.33 0.00 0.04 0.00 0.00 61.00 62.30 3dsg s PRO 88 Cb -0.28 -1.93 -0.13 0.00 0.04 0.00 0.00 34.50 32.20 3dsg s PRO 88 CO 0.33 -1.46 1.67 -0.25 0.04 0.00 0.00 177.00 177.33 3dsg n ASP 89 N -3.38 3.52 0.00 6.66 10.43 -1.26 -4.34 116.55 128.19 3dsg n ASP 89 Ca 0.08 1.06 0.00 0.00 2.57 0.00 0.00 54.79 58.50 3dsg n ASP 89 Cb 0.54 -1.49 0.00 0.00 1.84 0.00 0.00 41.12 42.01 3dsg n ASP 89 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3dsg n GLY 90 N 3.73 -0.26 0.23 0.44 0.00 -1.26 -4.82 105.19 103.25 3dsg n GLY 90 Ca 0.17 -2.25 -0.01 0.00 0.00 0.00 0.00 46.02 43.93 3dsg n GLY 90 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3dsg h PRO 91 N 6.54 0.38 -0.70 1.61 0.11 -1.99 -1.13 132.00 136.83 3dsg h PRO 91 Ca 0.00 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 3dsg h PRO 91 Cb 0.00 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 30.99 3dsg h PRO 91 CO 0.00 0.25 0.30 0.93 -0.21 0.00 0.00 178.00 179.27 3dsg h GLU 92 N 0.39 1.01 -0.09 1.05 3.07 -1.93 -1.21 114.58 116.87 3dsg h GLU 92 Ca 0.29 -0.16 -0.03 0.00 -0.50 0.00 0.00 59.36 58.96 3dsg h GLU 92 Cb 0.34 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 28.07 3dsg h GLU 92 CO -0.29 0.81 -0.07 0.78 -1.40 0.00 0.00 179.01 178.84 3dsg h GLY 93 N 1.07 0.23 1.96 -3.84 0.00 -1.75 -2.88 103.07 97.86 3dsg h GLY 93 Ca 0.24 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 3dsg h GLY 93 CO -0.02 0.20 -0.19 -2.09 0.00 0.00 0.00 176.54 174.43 3dsg h GLU 94 N -0.18 0.05 -0.45 4.80 4.57 -1.03 -0.27 114.58 122.07 3dsg h GLU 94 Ca 0.02 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.14 3dsg h GLU 94 Cb 0.55 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.12 3dsg h GLU 94 CO 0.02 0.24 0.10 0.00 -1.18 0.00 0.00 179.01 178.19 3dsg h ALA 95 N 1.76 0.60 -0.34 2.92 0.00 -1.00 -0.83 119.26 122.37 3dsg h ALA 95 Ca 0.01 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.57 3dsg h ALA 95 Cb 0.37 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3dsg h ALA 95 CO 0.03 0.30 -0.33 0.28 0.00 0.00 0.00 179.25 179.53 3dsg h VAL 96 N 0.61 1.29 -0.66 0.00 2.07 -0.98 -1.00 116.25 117.58 3dsg h VAL 96 Ca 0.14 -1.50 -0.09 0.00 0.82 0.00 0.00 66.70 66.07 3dsg h VAL 96 Cb 0.35 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 3dsg h VAL 96 CO 0.00 0.49 0.07 -0.09 0.02 0.00 0.00 177.57 178.07 3dsg h ARG 97 N 0.60 1.11 0.44 1.57 2.43 -0.97 -2.15 114.38 117.41 3dsg h ARG 97 Ca 0.05 -0.32 -0.02 0.00 -0.81 0.00 0.00 59.98 58.89 3dsg h ARG 97 Cb 0.92 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 3dsg h ARG 97 CO 0.08 1.03 -0.21 -0.91 -1.51 0.00 0.00 179.97 178.46 3dsg h ASN 98 N 1.03 -0.50 -0.63 -3.80 2.35 -0.63 -0.18 115.58 113.22 3dsg h ASN 98 Ca 0.20 -0.05 0.11 0.00 -0.55 0.00 0.00 56.30 56.00 3dsg h ASN 98 Cb 0.49 0.13 -0.12 0.00 0.05 0.00 0.00 38.32 38.87 3dsg h ASN 98 CO 0.02 -0.25 -0.35 0.11 -1.65 0.00 0.00 177.43 175.31 3dsg h LYS 99 N -0.74 -0.14 -0.01 0.81 1.57 -1.22 0.16 116.57 117.00 3dsg h LYS 99 Ca -0.06 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3dsg h LYS 99 Cb 0.52 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 3dsg h LYS 99 CO 0.10 -0.10 -0.07 0.82 -0.57 0.00 0.00 179.45 179.64 3dsg h ILE 100 N -0.15 0.83 -0.28 1.86 2.04 -1.05 -1.31 117.51 119.45 3dsg h ILE 100 Ca 0.24 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.08 3dsg h ILE 100 Cb 0.56 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 3dsg h ILE 100 CO -0.71 0.00 0.10 -0.33 0.00 0.00 0.00 178.15 177.21 3dsg h GLU 101 N -0.11 0.40 -0.30 2.37 5.08 -0.42 -1.53 114.58 120.07 3dsg h GLU 101 Ca 0.03 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 3dsg h GLU 101 Cb 0.15 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3dsg h GLU 101 CO -0.08 0.34 -0.04 0.00 -1.00 0.00 0.00 179.01 178.24 3dsg h THR 102 N 0.40 1.27 0.00 1.13 1.03 -0.51 -1.65 112.91 114.58 3dsg h THR 102 Ca 0.10 -1.03 0.00 0.00 -0.01 0.00 0.00 66.41 65.47 3dsg h THR 102 Cb 0.10 1.33 0.00 0.00 -1.07 0.00 0.00 68.15 68.52 3dsg h THR 102 CO -0.01 0.33 0.00 -0.07 -0.01 0.00 0.00 175.52 175.76 3dsg h LEU 103 N 0.34 0.00 -0.83 0.00 3.38 -0.28 -2.66 115.31 115.26 3dsg h LEU 103 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3dsg h LEU 103 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3dsg h LEU 103 CO 0.02 0.00 -0.29 0.18 0.09 0.00 0.00 178.44 178.44 3dsg n LEU 104 N -2.41 1.47 -2.65 1.67 7.99 -0.70 -4.93 117.00 117.43 3dsg n LEU 104 Ca -0.00 -0.76 -0.27 0.00 -0.01 0.00 0.00 56.01 54.97 3dsg n LEU 104 Cb 0.13 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.36 3dsg n LEU 104 CO 0.16 0.29 1.26 0.00 -1.51 0.00 0.00 177.39 177.59 3dsg n ALA 105 N -0.18 0.16 0.00 -1.18 0.00 -0.71 -5.07 120.51 113.54 3dsg n ALA 105 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3dsg n ALA 105 Cb 0.29 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.42 3dsg n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91